1-[4-Amino-5-chloro-2-methoxyphenyl]-5-(piperidin-1-yl)pentan-1-one

HCID 9799010

Basic information

Standard SMILES
COc1cc(N)c(Cl)cc1C(=O)CCCCN1CCCCC1
InChIKey
NQSBMNUPJHCOCK-UHFFFAOYSA-N
Molecular formula
C17H25ClN2O2
Average molar mass
324.8 g/mol
Monoisotopic mass
324.1604557

Names & identifiers

Preferred name
1-[4-Amino-5-chloro-2-methoxyphenyl]-5-(piperidin-1-yl)pentan-1-one
IUPAC
1-(4-amino-5-chloro-2-methoxyphenyl)-5-piperidin-1-ylpentan-1-one

Names & synonyms

CHEMBL83841SCHEMBL7351188NQSBMNUPJHCOCK-UHFFFAOYSA-NBDBM50469673PDSP1_000075PDSP2_0000751-[4-amino-5-chloro-2-methoxyphen yl]-5-(piperidin-1-yl)pentan-1-one1-[4-amino-5-chloro-2-methoxyphenyl]-5-(piperidin-1-yl)pentan-1-one

Database identifiers

PubChem CID
9799010
ChEMBL
CHEMBL83841
Nikkaji
J761.308C

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
55.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
22

Related reactions

3 records

Linked notes

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